Compounds

ALA4572363

Name:
(R)-(2-Benzylpiperidin-1-yl)(3-(bis(4-fluorophenyl)(hydroxy)methyl)-1H-pyraShow More⌵

Mol. Formula:
C29H27F2N3O2

M.W.:
487.55

5 activity values

2 unique targets

Type:
Unknown

AlogP:
5.51

Polar Surface Area:
58.36

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4545496

Name:
(R)-(2-Benzylpiperidin-1-yl)(4-(bis(4-fluorophenyl)(hydroxy)methyl)-1H-imidShow More⌵

Mol. Formula:
C29H27F2N3O2

M.W.:
487.55

4 activity values

2 unique targets

Type:
Unknown

AlogP:
5.51

Polar Surface Area:
58.36

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4532055

Name:
(R)-(2-Benzylpiperidin-1-yl)(3-(bis(4-fluorophenyl)(hydroxy)methyl)-1H-1,2,Show More⌵

Mol. Formula:
C28H26F2N4O2

M.W.:
488.54

5 activity values

2 unique targets

Type:
Unknown

AlogP:
4.91

Polar Surface Area:
71.25

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

LEI105

Name:
6-phenyl-1-[6-(p-tolyl)oxazolo[4,5-b]pyridin-2-yl]hexan-1-one

Mol. Formula:
C25H24N2O2

M.W.:
384.48

5 activity values

2 unique targets

Type:
Unknown

AlogP:
6.18

Polar Surface Area:
55.99

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4437021

Name:
(R)-(2-Benzylpiperidin-1-yl)(4-(bis(4-fluorophenyl)(hydroxy)methyl)-1H-1,2,Show More⌵

Mol. Formula:
C28H26F2N4O2

M.W.:
488.54

4 activity values

2 unique targets

Type:
Unknown

AlogP:
4.91

Polar Surface Area:
71.25

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3967137

Name:
((2R,5S)-2-Benzyl-5-(cyclopropylmethoxy)piperidin-1-yl)(4-(bis(4-fluorophenShow More⌵

Mol. Formula:
C32H32F2N4O3

M.W.:
558.63

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
80.48

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3934441

Name:
(S)-(2-benzylpiperidin-1-yl)(4-(biphenyl-4-yl)-1H-1,2,3-triazol-1-yl)methanShow More⌵

Mol. Formula:
C27H26N4O

M.W.:
422.53

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.68

Polar Surface Area:
51.02

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3922787

Name:
((2R,5S)-2-Benzyl-5-methoxypiperidin-1-yl)(4-(bis(4-fluorophenyl)(hydroxy)mShow More⌵

Mol. Formula:
C29H28F2N4O3

M.W.:
518.56

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
80.48

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3906477

Name:
(R)-(2-benzylpiperidin-1-yl)(4-(biphenyl-4-yl)-1H-1,2,3-triazol-1-yl)methanShow More⌵

Mol. Formula:
C27H26N4O

M.W.:
422.53

10 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.68

Polar Surface Area:
51.02

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

DH376

Name:
((2R,5R)-2-benzyl-5-(prop-2-ynyloxy)piperidin-1-yl)(4-(bis(4-fluorophenyl)(Show More⌵

Mol. Formula:
C31H28F2N4O3

M.W.:
542.59

19 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
80.48

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3319620

Name:
N-((2,2-Dimethylchroman-6-yl)sulfonyl)-N-(4-phenoxybenzyl)glycine

Mol. Formula:
C26H27NO6S

M.W.:
481.57

14 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
93.14

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3319619

Name:
N-((2,2-Dimethylchroman-6-yl)sulfonyl)-N-(3-phenoxybenzyl)glycine

Mol. Formula:
C26H27NO6S

M.W.:
481.57

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
93.14

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2172339

Name:
5-(3-(5-(10-(ethoxyfluorophosphoryl)decanamido)pentyl)thioureido)-2-(6-hydrShow More⌵

Mol. Formula:
C38H47FN3O8PS

M.W.:
755.85

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
8.86

Polar Surface Area:
167.20

HBA:
8

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA2172338

Name:
rac-1-tert-butoxy-3-(fluoro(methyl)phosphoryloxy)propan-2-yl oleate

Mol. Formula:
C26H50FO5P

M.W.:
492.65

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
8.56

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.07

DETAILS